2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone

C83H82F3N11O9PS4+ — CID 161480772

IUPAC2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
SMILESCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.COc1ccc(-c2cc(C(F)(F)F)[n+]3[nH]c(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(CO)cc1N(CC(=O)Cc1cccnc1)S(=O)(=O)P.O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C26H23N3O.C21H20N2OS3.C20H19F3N4O2.C16H19N2O5PS/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19;1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-29-14-7-5-13(6-8-14)15-11-17(20(21,22)23)27-18(24-15)12-16(25-27)19(28)26-9-3-2-4-10-26;1-23-16-5-4-13(11-19)8-15(16)18(25(21,22)24)10-14(20)7-12-3-2-6-17-9-12/h1-2,4-7,10-15,18H,3,8-9,16-17H2;4-11,13H,2-3,12,22H2,1H3;5-8,11-12H,2-4,9-10H2,1H3;2-6,8-9,19H,7,10-11,24H2,1H3/p+1
InChIKeyURKDFVGYDVQIIU-UHFFFAOYSA-O
MW1593.87 g/mol
LogP16.56
Rot. Bonds20

About 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone

2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone (PubChem CID 161480772) has the molecular formula C83H82F3N11O9PS4+ and a molecular weight of 1593.87 g/mol. Its IUPAC name is 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
PubChem CID161480772
Molecular FormulaC83H82F3N11O9PS4+
Molecular Weight1593.87 g/mol
Exact Mass1592.49
IUPAC Name2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
SMILESCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.COc1ccc(-c2cc(C(F)(F)F)[n+]3[nH]c(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(CO)cc1N(CC(=O)Cc1cccnc1)S(=O)(=O)P.O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C26H23N3O.C21H20N2OS3.C20H19F3N4O2.C16H19N2O5PS/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19;1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-29-14-7-5-13(6-8-14)15-11-17(20(21,22)23)27-18(24-15)12-16(25-27)19(28)26-9-3-2-4-10-26;1-23-16-5-4-13(11-19)8-15(16)18(25(21,22)24)10-14(20)7-12-3-2-6-17-9-12/h1-2,4-7,10-15,18H,3,8-9,16-17H2;4-11,13H,2-3,12,22H2,1H3;5-8,11-12H,2-4,9-10H2,1H3;2-6,8-9,19H,7,10-11,24H2,1H3/p+1
InChIKeyURKDFVGYDVQIIU-UHFFFAOYSA-O
XLogP16.56
TPSA261.19 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001593.87
LogP ≤ 516.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;N-[5-(hydroxymethyl)-2-methoxyphenyl]-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
CID 160469684
2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
CID 162039169

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone (CID 161480772) is 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone is CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.COc1ccc(-c2cc(C(F)(F)F)[n+]3[nH]c(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(CO)cc1N(CC(=O)Cc1cccnc1)S(=O)(=O)P.O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1.
What is the InChIKey of 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone?
The InChIKey is URKDFVGYDVQIIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23N3O.C21H20N2OS3.C20H19F3N4O2.C16H19N2O5PS/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19;1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-29-14-7-5-13(6-8-14)15-11-17(20(21,22)23)27-18(24-15)12-16(25-27)19(28)26-9-3-2-4-10-26;1-23-16-5-4-13(11-19)8-15(16)18(25(21,22)24)10-14(20)7-12-3-2-6-17-9-12/h1-2,4-7,10-15,18H,3,8-9,16-17H2;4-11,13H,2-3,12,22H2,1H3;5-8,11-12H,2-4,9-10H2,1H3;2-6,8-9,19H,7,10-11,24H2,1H3/p+1.
What are the key properties of 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone?
2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone has a molecular weight of 1593.87 g/mol, XLogP of 16.56, 20 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 161480772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).